6-azanyl-2-(2-dimethylaminoethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2-dimethylaminoethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(2-dimethylaminoethylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(2-dimethylaminoethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(2-dimethylaminoethylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(2-dimethylaminoethylthio)-7H-purin-8-one Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H20N6OS/c1-21(2)8-9-24-15-19-13(17)12-14(20-15)22(16(23)18-12)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,18,23)(H2,17,19,20)